SCHEMBL115597

SCHEMBL115597

O=S(=O)(C1CC1)N(c1cc(Br)cnc1Cl)S(=O)(=O)C1CC1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
ALDH1A1 P00352 7/20 0.35
HTT P42858 2/20 0.35
ALPL P05186 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 2/20 0.31
LMNA P02545 1/20 0.31
FNTA P49354 1/20 0.30
FNTB P49356 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL117014 0.78 ALDH1A1 (0.37) ALDH1A1HTTALPLGAAMAPT
SCHEMBL1650420 0.75 ALDH1A1 (0.43) ALDH1A1HTTALPLGAAMAPT
SCHEMBL16913965 0.73 PIK3C3 (0.50)
SCHEMBL1558035 0.72 CYP3A4 (0.48) ALDH1A1ALPLNPSR1
SCHEMBL18623581 0.71 KMT2A (0.39) ALDH1A1HTT
SCHEMBL12276604 0.71 PIK3CD (0.41) ALPL
SCHEMBL856141 0.70 PIK3CA (0.41) ALDH1A1HTTALPLGAAMAPT
SCHEMBL3116683 0.70 PIK3CA (0.43) PTGS1PTGS2ALDH1A1HTTALPL
SCHEMBL770120 0.70 PSEN1 (0.39) PTGS2ALDH1A1ALPLNPSR1
SCHEMBL1543607 0.68 CCR5 (0.38) ALDH1A1HTTMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424859-B1 INHIBITORS OF PI3 KINASE AND / OR MTOR AMGEN INC (US) 2015-04-08 EP disclosed
US-8772480-B2 Inhibitors of PI3 kinase and/or mTOR AMGEN INC. (US) 2014-07-08 US disclosed
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR AMGEN INC. (US) 2013-03-28 US disclosed
US-8362241-B2 Inhibitors of PI3 kinase and/or mTOR AMGEN INC. (US) 2013-01-29 US disclosed
EP-2424859-A1 INHIBITORS OF PI3 KINASE AND / OR MTOR Amgen, Inc (US) 2012-03-07 EP disclosed
WO-2010126895-A1 INHIBITORS OF PI3 KINASE AND / OR MTOR AMGEN INC. (US) 2010-11-04 WO disclosed
US-20100273764-A1 INHIBITORS OF PI3 KINASE AND/OR MTOR AMGEN INC. (US) 2010-10-28 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100273764-A1 INHIBITORS OF PI3 KINASE AND/OR MTOR MTOR, PIK3CA, PIK3CD PTGS1 1517/4885PTGS2 2283/4885ALDH1A1 4256/4885
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR MTOR, PIK3CA, PIK3CD PTGS1 1517/4885PTGS2 2283/4885ALDH1A1 4256/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.